Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl 2-methylpent-3-yl ester

cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl 2-methylpent-3-yl ester

InChI
InChI=1S/C21H36O4/c1-5-7-8-9-12-15-24-20(22)17-13-10-11-14-18(17)21(23)25-19(6-2)16(3)4/h10-11,16-19H,5-9,12-15H2,1-4H3
InChI Key
DLQKXNNBJYGGBC-UHFFFAOYSA-N
Formula
C21H36O4
SMILES
CCCCCCCOC(=O)C1CC=CCC1C(=O)OC(CC)C(C)C
Molecular Weight1
352.51
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Physical Properties

Property Value Unit Source
ΔfusH° 45.97 kJ/mol Joback Calculated Property
log10WS -5.04 Relay (1.0) Calculated Property
logPoct/wat 5.060 Crippen Calculated Property
McVol 306.470 ml/mol McGowan Calculated Property
Inp [2335.00; 2335.00]   Show Hide
Inp 2335.00 NIST
Inp 2335.00 NIST
Tboil 621.64 K Relay (1.0) Calculated Property
Tfus 275.84 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [440.69; 1080.47] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.06330e+01
Coefficient B1.94068e+00
Coefficient C-9.48680e-04
Coefficient D1.09100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 440.69 J/mol×K 273.00 Calculated Property
Cp,gas 552.03 J/mol×K 353.78 Calculated Property
Cp,gas 652.51 J/mol×K 434.56 Calculated Property
Cp,gas 742.46 J/mol×K 515.33 Calculated Property
Cp,gas 822.23 J/mol×K 596.11 Calculated Property
Cp,gas 892.16 J/mol×K 676.89 Calculated Property
Cp,gas 952.61 J/mol×K 757.67 Calculated Property
Cp,gas 1003.91 J/mol×K 838.44 Calculated Property
Cp,gas 1046.42 J/mol×K 919.22 Calculated Property
Cp,gas 1080.47 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0023165; 0.0000745] Pa×s [384.99; 703.20] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.36619e+01
Coefficient B2.92370e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.384.99
Temperature range, max.703.20
η 0.0023165 Pa×s 384.99 Calculated Property
η 0.0012230 Pa×s 420.35 Calculated Property
η 0.0007129 Pa×s 455.70 Calculated Property
η 0.0004492 Pa×s 491.06 Calculated Property
η 0.0003011 Pa×s 526.42 Calculated Property
η 0.0002123 Pa×s 561.78 Calculated Property
η 0.0001560 Pa×s 597.13 Calculated Property
η 0.0001186 Pa×s 632.49 Calculated Property
η 0.0000929 Pa×s 667.85 Calculated Property
η 0.0000745 Pa×s 703.20 Calculated Property

Similar Compounds

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl octyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl nonyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl pentadecyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl undecyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl 2-methylpent-3-yl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexyl 2-methylpent-3-yl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, isohexyl 2-methylpent-3-yl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl 2-methylbutyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylbutyl octyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(2-methylpent-3-yl) ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl octadecyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl nonyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl tetradecyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl hexadecyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl octyl ester.

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl 2-methylpent-3-yl ester.

Sources

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